Information card for entry 2003498

Structure parameters

• Common name: Sel de maprotiline
• Chemical name: N-méthyl-N-[Dibenzo(b,e)]-bicyclo-[2,2,2]-octadi ène]-propylcarbamate de N-méthyl-N-[Dibenzo(b,e)]-bicyclo-[2,2,2]-octadi ène]-propylammonium
• Formula: C41 H47 N2 O2.5
• Calculated formula: C41 H47 N2 O2.5
• Title of publication: Un sel de Maprotiline (Ludiomil), Médicament Psychotrope, C~20~H~24~N^+^.C~21~H~22~NO~2~^{-^}.0,5H~2~O
• Authors of publication: Brouant, P.; Reboul, J.-P.; Siri, D.; Soyfer, J.-C.; Barbe, J.; Pèpe, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 970 - 974
• a: 8.955 ± 0.005 Å
• b: 11.085 ± 0.003 Å
• c: 17.45 ± 0.005 Å
• α: 83.9 ± 0.02°
• β: 78.8 ± 0.01°
• γ: 85.3 ± 0.02°
• Cell volume: 1686.2 ± 1.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.042
• Goodness-of-fit parameter for all reflections: 1.01
• Goodness-of-fit parameter for significantly intense reflections: 1.01
• Diffraction radiation wavelength: 0.7019 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No